CID 9575440

(2z,5z)-5-benzylidene-3-(4-ethoxyphenyl)-2-(2-pyridylimino)thiazolidin-4-one

Structural Information

Molecular Formula
C23H19N3O2S
SMILES
CCOC1=CC=C(C=C1)N\2C(=O)/C(=C/C3=CC=CC=C3)/S/C2=N\C4=CC=CC=N4
InChI
InChI=1S/C23H19N3O2S/c1-2-28-19-13-11-18(12-14-19)26-22(27)20(16-17-8-4-3-5-9-17)29-23(26)25-21-10-6-7-15-24-21/h3-16H,2H2,1H3/b20-16-,25-23-
InChIKey
PNYQINIYBXCLGP-RXKZAILSSA-N
Compound name
(2Z,5Z)-5-benzylidene-3-(4-ethoxyphenyl)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.1198 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.12708 197.3
[M+Na]+ 424.10902 205.1
[M-H]- 400.11252 208.8
[M+NH4]+ 419.15362 207.7
[M+K]+ 440.08296 197.5
[M+H-H2O]+ 384.11706 186.2
[M+HCOO]- 446.11800 215.2
[M+CH3COO]- 460.13365 206.9
[M+Na-2H]- 422.09447 196.1
[M]+ 401.11925 198.7
[M]- 401.12035 198.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.